Spektraris NMR
Bipinnatolide K
Common Name: Bipinnatolide K
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H24O8/c1-9-4-11(21)6-10(2)20(24)15(22)12(18(3)8-25-18)7-14(27-20)19-16(28-19)13(5-9)26-17(19)23/h4,12-16,22,24H,2,5-8H2,1,3H3/b9-4-/t12-,13+,14-,15+,16+,18+,19+,20-/m1/s1
InChIKey: InChIKey=HSSPWYAJKLQQPG-AWXZGNRISA-N
Formula: C20H24O8
Molecular Weight: 392.400535
Exact Mass: 392.147118
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Rodriguez, A.D., Shi, Y.P. J Nat Prod (2000) 63, 1548-50
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Cembranes; 13 C Spectrum from Naproc 13: José Luis López-Pérez, Roberto Therón, Esther del Olmo, David Díaz: NAPROC-13: a database for the dereplication of natural product mixtures in bioassay-guided protocols. Bioinformatics 23(23):3256-3257 (2007)
Carbon NMR Peaks
| Position | PPM |
|---|---|
| 1 (CH) | 42 |
| 2 (CH) | 69.1 |
| 3 (C) | 97.4 |
| 4 (C) | 142.6 |
| 5 (CH2) | 50.8 |
| 6 (C) | 198.7 |
| 7 (CH) | 126.1 |
| 8 (C) | 147.8 |
| 9 (CH2) | 33 |
| 10 (CH) | 78.2 |
| 11 (CH) | 58.5 |
| 12 (C) | 58.9 |
| 13 (CH) | 62.6 |
| 14 (CH2) | 27.4 |
| 15 (C) | 57.8 |
| 16 (CH3) | 17.9 |
| 17 (CH2) | 52 |
| 18 (CH2) | 119 |
| 19 (CH3) | 28.9 |
| 20 (C) | 171.5 |
